4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide

C14H13BrFNOS — CID 86601000

IUPAC4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)c1cc(Br)cs1
InChIInChI=1S/C14H13BrFNOS/c1-17(14(18)13-8-11(15)9-19-13)7-6-10-2-4-12(16)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyMHUVLAUHYDSFQA-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.96
Rot. Bonds4

About 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide

4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 86601000) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID86601000
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)c1cc(Br)cs1
InChIInChI=1S/C14H13BrFNOS/c1-17(14(18)13-8-11(15)9-19-13)7-6-10-2-4-12(16)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyMHUVLAUHYDSFQA-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene derivative, 3c
CID 25023797
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
Thiophene-2-carboxylic acid [2-(4-bromo-phenyl)-2-oxo-ethyl]-amide
CID 856376
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
(5-bromothiophen-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 2225166
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N-benzyl-N-(2-cyanoethyl)-2-thiophenecarboxamide
CID 2813034
(4,5-dibromothiophen-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4846218
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 697434
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide (CID 86601000) is 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide is CN(CCc1ccc(F)cc1)C(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is MHUVLAUHYDSFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-17(14(18)13-8-11(15)9-19-13)7-6-10-2-4-12(16)5-3-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 86601000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).